Gold doping of tin clusters: exo- vs. endohedral complexes

Funding

We acknowledge financial support by the DFG (SCHA 885/15-1). The calculations reported here were performed on the Lichtenberg high performance computer of the TU Darmstadt, ARCHER, the UK National Supercomputing Service via membership of the UK's HPC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202), the Biby cluster resources<SUP>58</SUP> and the HPC cluster Peregrine of the Center for Information Technology, University of Groningen. LFP acknowledges the support from the Slovak Research and Development Agency (APVV-15-0105). A. S. acknowledges funding by the Austrian Science Fund (FWF) within the LiseMeitner fellowship M 2364. We are thankful to G. G. Rondina for useful discussions and technical support.